N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

C28H27ClN2O3 — CID 71493658

IUPACN-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCc1ccccc1C(NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C28H27ClN2O3/c1-18-6-4-5-7-25(18)28(22-10-12-23(29)13-11-22)30-27(32)16-21-8-14-24(15-9-21)33-17-26-19(2)31-34-20(26)3/h4-15,28H,16-17H2,1-3H3,(H,30,32)
InChIKeyGSXHODAINWNXLK-UHFFFAOYSA-N
MW474.99 g/mol
LogP6.28
Rot. Bonds8

About N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (PubChem CID 71493658) has the molecular formula C28H27ClN2O3 and a molecular weight of 474.99 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
PubChem CID71493658
Molecular FormulaC28H27ClN2O3
Molecular Weight474.99 g/mol
Exact Mass474.17
IUPAC NameN-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCc1ccccc1C(NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C28H27ClN2O3/c1-18-6-4-5-7-25(18)28(22-10-12-23(29)13-11-22)30-27(32)16-21-8-14-24(15-9-21)33-17-26-19(2)31-34-20(26)3/h4-15,28H,16-17H2,1-3H3,(H,30,32)
InChIKeyGSXHODAINWNXLK-UHFFFAOYSA-N
XLogP6.28
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.99
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide
CID 71493816
2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 71247898
N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 71493503
N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
CID 71247963
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 41088769
[(1R)-1-(2-chlorophenyl)ethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7399133
N-(2,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26115421
2-(4-chlorophenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92683311
N-(3,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26085736
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 112766082
N-[bis(4-methylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
CID 71494295
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (CID 71493658) is N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is Cc1ccccc1C(NC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The InChIKey is GSXHODAINWNXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O3/c1-18-6-4-5-7-25(18)28(22-10-12-23(29)13-11-22)30-27(32)16-21-8-14-24(15-9-21)33-17-26-19(2)31-34-20(26)3/h4-15,28H,16-17H2,1-3H3,(H,30,32).
What are the key properties of N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide has a molecular weight of 474.99 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 71493658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).